CID 5014600

1,3-di-tert-butyl 2-diazopropanedioate

Structural Information

Molecular Formula
C11H18N2O4
SMILES
CC(C)(C)OC(=O)C(=[N+]=[N-])C(=O)OC(C)(C)C
InChI
InChI=1S/C11H18N2O4/c1-10(2,3)16-8(14)7(13-12)9(15)17-11(4,5)6/h1-6H3
InChIKey
RXYMTVAHQNMICF-UHFFFAOYSA-N
Compound name
ditert-butyl 2-diazopropanedioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

242.12666 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.133936 153.4
[M+Na]+ 265.115878 159.1
[M-H]- 241.119384 155.4
[M+NH4]+ 260.160483 181.6
[M+K]+ 281.089818 155.5
[M+H-H2O]+ 225.123920 153.7
[M+HCOO]- 287.124861 189.8
[M+CH3COO]- 301.140511 190.2
[M+Na-2H]- 263.101326 160.1
[M]+ 242.12611142 154.5
[M]- 242.12720858 154.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe